0 mol 8 unq 0 iso 0 dist 6.82379 6.56356 8.64248 5.7531 7.12263 8.83742 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.82379 6.56356 8.64248 11.0223 5.00267 13.4523 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 7.05346 8.30653 4.3947 6.119 5.55437 8.71372 numMergedOcc 0
3 mol 13 unq 0 iso 0 dist 8.43325 9.45635 9.75022 7.82977 9.10587 15.0652 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.60423 7.95042 4.47891 6.58998 9.38831 8.24948 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 6.72502 8.09311 9.94429 11.2106 9.40479 17.9724 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 6.72502 8.09311 9.94429 5.97304 9.38831 10.8583 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 6.72502 9.05357 6.88355 11.2106 9.40479 11.7085 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 6.72502 9.05357 6.88355 5.97304 9.38831 14.2818 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 4.93188 6.6219 8.32592 9.48345 9.40479 14.4379 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 4.93188 6.6219 8.32592 14.4162 9.58012 16.6774 numMergedOcc 0
11 mol 24 unq 7 iso 0 dist 4.93188 5.68215 8.10397 9.48345 9.40479 13.0098 numMergedOcc 0
12 mol 24 unq 8 iso 0 dist 4.93188 5.68215 8.10397 14.4162 9.58012 16.4932 numMergedOcc 0
13 mol 24 unq 9 iso 0 dist 9.24958 8.87744 7.55689 13.1456 9.40479 16.4641 numMergedOcc 0
14 mol 24 unq 10 iso 0 dist 9.24958 8.87744 7.55689 10.0655 9.58012 11.3572 numMergedOcc 0
15 mol 24 unq 11 iso 0 dist 9.24958 7.27472 5.11135 13.1456 9.40479 13.5399 numMergedOcc 0
16 mol 24 unq 12 iso 0 dist 9.24958 7.27472 5.11135 10.0655 9.58012 7.96195 numMergedOcc 0
17 mol 43 unq 0 iso 0 dist 9.93832 6.6263 4.55347 7.05402 7.31982 7.15901 numMergedOcc 0
18 mol 43 unq 1 iso 0 dist 8.60739 6.75943 4.55347 5.48048 7.31982 7.15901 numMergedOcc 0
19 mol 43 unq 2 iso 0 dist 8.44903 6.66407 4.69849 5.64171 7.31982 7.24352 numMergedOcc 0
20 mol 56 unq 0 iso 0 dist 8.63486 9.2898 15.8558 12.8132 6.91393 18.0548 numMergedOcc 0
21 mol 56 unq 1 iso 0 dist 8.63486 9.2898 15.8558 16.7219 8.40038 22.5119 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 8.65802 9.33861 10.2518 12.1157 8.03028 17.2727 numMergedOcc 0
23 mol 92 unq 1 iso 0 dist 8.65802 9.33861 10.2518 7.23437 7.39754 11.7337 numMergedOcc 0
24 mol 109 unq 0 iso 0 dist 8.67766 9.77497 9.03468 11.8348 9.92553 12.0113 numMergedOcc 0
25 mol 109 unq 1 iso 0 dist 8.0831 9.89083 11.0597 15.0307 9.92553 20.2479 numMergedOcc 0
26 mol 115 unq 0 iso 0 dist 5.72642 7.69765 7.27912 7.21418 8.71286 14.0614 numMergedOcc 0
27 mol 115 unq 1 iso 0 dist 5.72642 9.42082 10.5109 7.21418 8.71286 10.3973 numMergedOcc 0
28 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 4.99056 8.03035 9.57341 numMergedOcc 0
29 mol 119 unq 1 iso 0 dist 8.56342 7.64052 6.29394 3.78311 8.03035 9.57341 numMergedOcc 0
30 mol 119 unq 2 iso 0 dist 6.37542 7.64052 9.64502 3.78311 7.6968 9.57341 numMergedOcc 0
31 mol 141 unq 0 iso 0 dist 6.69515 8.07097 5.25982 9.76015 8.26172 9.18511 numMergedOcc 0
32 mol 143 unq 0 iso 0 dist 8.41611 7.36975 9.05786 10.8441 5.73236 13.5717 numMergedOcc 0
33 mol 143 unq 1 iso 0 dist 8.41611 5.40637 6.16103 10.8441 5.73236 8.68663 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 9.77552 6.59889 4.71678 7.2238 6.39031 7.1069 numMergedOcc 0
35 mol 152 unq 1 iso 0 dist 9.77552 8.9192 7.11377 7.2238 6.39031 10.6459 numMergedOcc 0
36 mol 152 unq 2 iso 0 dist 8.28642 6.70693 4.71678 5.59336 6.39031 7.1069 numMergedOcc 0
37 mol 154 unq 0 iso 0 dist 7.72144 8.33439 14.4682 11.0347 9.71408 14.6089 numMergedOcc 0
38 mol 175 unq 0 iso 0 dist 5.4969 9.63417 9.37652 4.24624 7.32419 12.349 numMergedOcc 0
39 mol 175 unq 1 iso 0 dist 6.4318 9.63417 4.52999 4.24624 8.31961 12.349 numMergedOcc 0
40 mol 184 unq 0 iso 0 dist 8.77887 9.90822 6.88536 5.16512 9.05835 13.1226 numMergedOcc 0
41 mol 184 unq 1 iso 0 dist 8.77887 6.73504 6.19242 5.16512 9.05835 7.32888 numMergedOcc 0
42 mol 186 unq 0 iso 0 dist 6.72641 7.05695 8.1007 8.12143 7.23293 13.538 numMergedOcc 0
43 mol 186 unq 1 iso 0 dist 7.20574 6.61112 8.58039 12.7155 7.55358 14.0095 numMergedOcc 0
44 mol 186 unq 2 iso 0 dist 7.20574 6.61112 8.58039 11.2142 8.87818 13.9314 numMergedOcc 0
45 mol 186 unq 3 iso 0 dist 7.24795 8.73533 9.40383 13.0197 7.55358 16.9055 numMergedOcc 0
46 mol 186 unq 4 iso 0 dist 7.24795 8.73533 9.40383 12.9082 7.60991 15.1335 numMergedOcc 0
47 mol 186 unq 5 iso 0 dist 9.83476 7.2793 6.38897 6.87725 8.12349 8.31881 numMergedOcc 0
48 mol 186 unq 6 iso 0 dist 9.83476 9.51091 8.93258 6.87725 8.12349 11.7345 numMergedOcc 0
49 mol 186 unq 7 iso 0 dist 9.83476 7.85184 11.924 6.87725 8.12349 12.1449 numMergedOcc 0
50 mol 218 unq 0 iso 0 dist 6.29367 8.75536 6.57708 6.90702 8.93185 9.11192 numMergedOcc 0
51 mol 218 unq 1 iso 0 dist 8.86175 8.75536 13.4147 9.46742 9.06334 17.8359 numMergedOcc 0
52 mol 218 unq 2 iso 0 dist 5.76954 7.33709 6.57708 10.4526 8.93185 9.11192 numMergedOcc 0
53 mol 218 unq 3 iso 0 dist 6.29511 7.33709 13.4147 11.438 9.06334 17.8359 numMergedOcc 0
54 mol 218 unq 4 iso 0 dist 9.20961 6.67404 6.57708 8.94041 8.93185 9.11192 numMergedOcc 0
55 mol 225 unq 0 iso 0 dist 6.6561 6.50998 6.35462 4.76151 6.53728 9.87668 numMergedOcc 0
56 mol 225 unq 1 iso 0 dist 6.6561 9.09424 5.94765 4.76151 6.53728 8.42121 numMergedOcc 0
57 mol 225 unq 2 iso 0 dist 6.6561 8.14831 11.2847 4.76151 6.53728 4.98402 numMergedOcc 0
58 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 10.5813 9.56257 9.43618 numMergedOcc 0
59 mol 227 unq 1 iso 0 dist 5.4694 6.91318 7.3164 7.22396 9.56257 9.43618 numMergedOcc 0
60 mol 238 unq 0 iso 0 dist 6.4398 8.82351 6.22195 5.87253 9.89583 11.2897 numMergedOcc 0
61 mol 238 unq 1 iso 0 dist 7.32982 9.72188 13.0611 10.7551 9.89583 6.53286 numMergedOcc 0
62 mol 238 unq 2 iso 0 dist 5.52379 9.07475 6.50998 14.1055 9.89583 14.5645 numMergedOcc 0
63 mol 238 unq 3 iso 0 dist 5.52379 6.99888 5.63944 14.1055 9.89583 15.0962 numMergedOcc 0
64 mol 252 unq 0 iso 0 dist 6.86945 7.15764 4.34126 7.63376 8.55481 5.9974 numMergedOcc 0
65 mol 264 unq 0 iso 0 dist 7.52281 5.90924 7.36132 4.48907 5.74568 7.14086 numMergedOcc 0
66 mol 264 unq 1 iso 0 dist 6.42588 9.58916 7.36132 10.1591 5.74568 7.14086 numMergedOcc 0
67 mol 264 unq 2 iso 0 dist 6.04162 9.19754 5.82131 6.84156 5.74568 6.02757 numMergedOcc 0
68 mol 264 unq 3 iso 0 dist 6.14323 8.29262 5.82131 9.37297 5.74568 6.02757 numMergedOcc 0
